![2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)- structure](/static/products/353/353783-84-3.png)
2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-
TL;DR: 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)- (CAS 353783-84-3) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-2-butenoic acid, (2E)-3-[N-(3-cyano(4,5,6,7,8,9-hexahydrocycloocta[1,2-d]thiophen-2-yl))carbamo yl]prop-2-enoic acid, (2E)-4-[(3-CYANO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIEN-2-YL)AMINO]-4-OXOBUT-2-ENOIC ACID, (2E)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.85808 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 625.59863 |
Chemical Identifiers
| CAS Number | 353783-84-3 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=O)/C=C/C(=O)O)C#N |
Product Overview
2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)- (CAS 353783-84-3), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: (E)-4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-
Property Insights of 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-
The XLogP value of 2.85808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-. Following Lipinski's Rule of Five, 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-?
The CAS number of 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)- is 353783-84-3.
What is the molecular formula of 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-?
The molecular formula of 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)- is C15H16N2O3S.
What is the molecular weight of 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-?
The molecular weight of 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)- is 304.09 g/mol.
Where can I buy 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-?
You can request a quote for 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-butenoic acid, 4-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]-4-oxo-, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.